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Etilefrine pivalate , CAS No.85750-39-6

COA

Cas Number: 85750-39-6
Molecular Weight: 265.35
PubChem CID: 157211

In stock

Item Number

E668092

Grouped product items
SKU	Size	Availability	Price	Qty
E668092-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
E668092-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	Etilefrine pivalate \| Etilefrine pivalate [INN] \| 3RLD929C4S \| Pivalate d'etilefrine \| Etilefrini pivalas \| Pivalato de etilefrina \| Etilefrini pivalas [Latin] \| UNII-3RLD929C4S \| Pivalate d'etilefrine [French] \| Pivalato de etilefrina [Spanish] \| [3-[2-(

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol esters
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol esters
Alternative Parents	Phenoxy compounds Aralkylamines Secondary alcohols Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenol ester - Phenoxy compound - Aralkylamine - Monocyclic benzene moiety - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	[3-[2-(ethylamino)-1-hydroxyethyl]phenyl] 2,2-dimethylpropanoate
INCHI	InChI=1S/C15H23NO3/c1-5-16-10-13(17)11-7-6-8-12(9-11)19-14(18)15(2,3)4/h6-9,13,16-17H,5,10H2,1-4H3
InChIKey	DRMHNJGOEAYOIZ-UHFFFAOYSA-N
Smiles	CCNCC(C1=CC(=CC=C1)OC(=O)C(C)(C)C)O
Isomeric SMILES	CCNCC(C1=CC(=CC=C1)OC(=O)C(C)(C)C)O
Molecular Weight	265.35
Reaxy-Rn	2125161
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2125161&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	265.350 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	265.168 Da
Monoisotopic Mass	265.168 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	286.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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